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Oxygen Reduction Reaction Catalyzed by Small Gold Cluster on h-BN/Au(111) Support
| Title: | Oxygen Reduction Reaction Catalyzed by Small Gold Cluster on h-BN/Au(111) Support |
| Authors: | Lyalin, Andrey Browse this author | | Uosaki, Kohei Browse this author →KAKEN DB | | Taketsugu, Tetsuya Browse this author →KAKEN DB |
| Keywords: | Boron nitride | | Gold nanocatalysis | | Oxygen reduction reaction | | Interface effects |
| Issue Date: | Mar-2018 |
| Publisher: | Springer |
| Journal Title: | Electrocatalysis |
| Volume: | 9 |
| Issue: | 2 |
| Start Page: | 182 |
| End Page: | 188 |
| Publisher DOI: | 10.1007/s12678-017-0395-5 |
| Abstract: | The catalytic activity for the oxygen reduction reaction (ORR) of a hexagonal boron nitride (h-BN) monolayer deposited on a Au(111) surface and decorated by a small planar Au-8 cluster has been studied theoretically using density-functional theory. It is shown that gold nanoparticles (Au-NP) deposited on the h-BN/Au(111) surface can provide catalytically active sites for effective ORR at the perimeter interface with the support. Stabilization of oxygen at the perimeter interface between Au-NP and h-BN/Au(111) support promotes OOH* dissociation opening effective 4-electron pathway of ORR with formation of H2O. It is suggested that increase in the perimeter interface area between the supported Au-NP and the surface would result in increase of the ORR activity. Such increase in the perimeter interface area can be achieved by decreasing the size of Au-NP. Our calculations demonstrate the principal ability to functionalize inert materials such as stand-alone h-BN monolayer or Au surface for the ORR and open new way to design effective Pt-free catalysts for fuel cell technology. |
| Rights: | The final publication is available at link.springer.com. |
| Type: | article (author version) |
| URI: | http://hdl.handle.net/2115/72710 |
| Appears in Collections: | 理学院・理学研究院 (Graduate School of Science / Faculty of Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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Submitter: 武次 徹也
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